Skip to main content

This program calculates the isotopic distribution/pattern of a given chemical species.

Project description

pyISOPACh - ISOtope PAttern Calculator

This is a sister package of the DIMEdb project. This program calculates the isotopic distribution/pattern of a given chemical species.

Example Usage

# Import the package into python
>>> import pyisopach
# Create Molecule object for Sucrose
>>> mol = pyisopach.Molecule("C12H22O11")
# Return molecular weight
>>> mol.molecular_weight
342.2970125766493
# Calculate isotopic distribution/pattern
>>> mol.isotopic_distribution()
(array([342.11621155, 343.11956639, 344.12045733]), array([100.        ,  12.97887395,   2.260493  ]))

License

Code released under the MIT license.

Project details


Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Files for pyisopach, version 0.1
Filename, size File type Python version Upload date Hashes
Filename, size pyisopach-0.1.tar.gz (8.2 kB) File type Source Python version None Upload date Hashes View hashes

Supported by

Elastic Elastic Search Pingdom Pingdom Monitoring Google Google BigQuery Sentry Sentry Error logging AWS AWS Cloud computing DataDog DataDog Monitoring Fastly Fastly CDN SignalFx SignalFx Supporter DigiCert DigiCert EV certificate StatusPage StatusPage Status page